SCHEMBL286903

SCHEMBL286903

C=Cc1ccc(C#N)c(OC)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.38
IMPDH1 P20839 1/20 0.38
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SRC P12931 2/20 0.33
SLC22A12 Q96S37 2/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 1/20 0.31
LRRK2 Q5S007 1/20 0.31
DRD2 P14416 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL299954 0.81 IMPDH2 (0.39) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL14720082 0.77 IMPDH2 (0.41) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL16955444 0.76 IMPDH2 (0.43) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL1030266 0.75 POLB (0.47) ALDH1A1
SCHEMBL2959996 0.74 KDM4E (0.44) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL7961132 0.73 ALDH1A1 (0.48) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL21063368 0.71 ALDH1A1 (0.35) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL7966662 0.70 CA1 (0.44) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL286564 0.70 ALDH1A1 (0.41) IMPDH2IMPDH1KDM4EALDH1A1USP2
SCHEMBL2722690 0.70 IMPDH2 (0.37) IMPDH2IMPDH1KDM4EALDH1A1USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 IMPDH2 1954/4885IMPDH1 1279/4885KDM4E 1977/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 IMPDH2 1954/4885IMPDH1 1279/4885KDM4E 1977/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.